SCHEMBL7819031

SCHEMBL7819031

Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCc4ccc(C=NN)cc4)c3Cl)c2n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.69
RORC P51449 18/20 0.63

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL8187933 0.99 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7815013 0.96 BDKRB2 (0.71) BDKRB2RORC
SCHEMBL7811575 0.94 BDKRB2 (0.68) BDKRB2RORC
SCHEMBL8181615 0.93 BDKRB2 (0.67) BDKRB2RORC
SCHEMBL6946262 0.92 BDKRB2 (0.71) BDKRB2RORC
SCHEMBL6953309 0.92 BDKRB2 (0.80) BDKRB2RORC
SCHEMBL6952945 0.92 BDKRB2 (0.69) BDKRB2RORC
Hydrochloric Acid SCHEMBL8040358 0.92 BDKRB2 (0.70) BDKRB2RORC
Hydrochloric Acid SCHEMBL8041915 0.92 BDKRB2 (0.79) BDKRB2RORC
Hydrochloric Acid SCHEMBL8038451 0.91 BDKRB2 (0.68) BDKRB2RORC

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925295-B1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS B2 RECEPTOR ANTAGONISTS OF THE BRADYKININ FOURNIER IND & SANTE (FR) 2001-10-04 EP disclosed